REMARK Name = BDB030326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.811 -0.013 1.946 0.00 0.00 +0.053 C ATOM 2 C LIG 1 0.739 -1.096 1.977 0.00 0.00 +0.188 C ATOM 3 O LIG 1 -0.557 -0.522 2.079 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 -1.221 -0.048 0.989 0.00 0.00 +0.133 A ATOM 5 C LIG 1 -0.879 -0.067 -0.367 0.00 0.00 +0.078 A ATOM 6 C LIG 1 -1.780 0.528 -1.284 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -2.982 1.112 -0.877 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -3.327 1.124 0.471 0.00 0.00 -0.030 A ATOM 9 C LIG 1 0.339 -0.643 -1.016 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.661 -0.212 -2.127 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 1.073 -1.662 -0.426 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -2.440 0.543 1.385 0.00 0.00 +0.051 A ATOM 13 C LIG 1 0.815 -2.178 0.905 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 C LIG 1 -4.622 1.753 0.933 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 N LIG 1 -5.814 1.090 0.379 0.00 0.00 -0.298 NA ATOM 16 C LIG 1 -7.023 1.876 0.636 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -8.217 1.341 -0.169 0.00 0.00 +0.027 C ATOM 18 C LIG 1 -8.063 -0.157 -0.459 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -7.510 -0.489 -1.863 0.00 0.00 +0.169 C ATOM 20 O LIG 1 -8.833 -0.843 -2.339 0.00 0.00 -0.379 OA ATOM 21 C LIG 1 -9.345 -0.828 -0.986 0.00 0.00 +0.169 C ATOM 22 C LIG 1 -7.364 -0.872 0.690 0.00 0.00 +0.027 C ATOM 23 C LIG 1 -5.955 -0.290 0.881 0.00 0.00 +0.085 C ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 24 ATOM 24 C LIG 1 2.076 -2.368 -1.241 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 3.540 -1.931 -1.014 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 3.924 -2.235 0.331 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 4.887 -2.106 0.375 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.783 -0.443 -1.374 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 5.153 0.091 -1.264 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 5.481 0.602 0.072 0.00 0.00 +0.120 C ATOM 31 C LIG 1 6.908 1.093 0.212 0.00 0.00 -0.030 A ATOM 32 C LIG 1 7.884 0.792 -0.754 0.00 0.00 -0.042 A ATOM 33 C LIG 1 9.199 1.246 -0.583 0.00 0.00 +0.004 A ATOM 34 C LIG 1 9.551 1.973 0.554 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.592 2.258 1.523 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.499 0.042 -2.003 0.00 0.00 +0.051 C ATOM 37 C LIG 1 7.278 1.820 1.354 0.00 0.00 +0.005 A ATOM 38 C LIG 1 6.201 -0.756 -1.824 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 7